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Structure paper

TitleStructure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Journal, issue, pagesDRUG DES. DISCOVERY, Vol. 18, Page 91-99, Year 2003
Publish dateMay 16, 2003 (structure data deposition date)
AuthorsXu, X. / Wang, J. / Grison, C. / Petek, S. / Coutrot, P. / Birck, M.R. / Woodard, R.W. / Gatti, D.L.
External linksPubMed:14675946
MethodsX-ray diffraction
Resolution1.74 - 1.85 Å
Structure data

PDB-1pck:
Aquifex aeolicus KDO8PS in complex with Z-methyl-PEP
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-1pcw:
Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-1pe1:
Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CD:
Unknown entry

ChemComp-PEZ:
2-(PHOSPHONOOXY)BUTANOIC ACID

ChemComp-HOH:
WATER

ChemComp-H4P:
1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL

ChemComp-2PG:
2-PHOSPHOGLYCERIC ACID

Source
  • aquifex aeolicus (bacteria)
KeywordsLYASE / beta(8)/alpha(8) barrel

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